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87243-08-1 | 1H-Imidazole, 4-ethoxy-5-nitro-
CAS No: 87243-08-1 Catalog No: AG004JBW MDL No:
Product Description
Catalog Number:
AG004JBW
Chemical Name:
1H-Imidazole, 4-ethoxy-5-nitro-
CAS Number:
87243-08-1
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
IUPAC Name:
4-ethoxy-5-nitro-1H-imidazole
InChI:
InChI=1S/C5H7N3O3/c1-2-11-5-4(8(9)10)6-3-7-5/h3H,2H2,1H3,(H,6,7)
InChI Key:
HKUDQLIILHHOAM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(OCC)nc[nH]1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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